2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid

C15H17NO4 — CID 103261797

IUPAC2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
SMILESCC1OCCC1NCc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C15H17NO4/c1-9-11(6-7-19-9)16-8-13-14(15(17)18)10-4-2-3-5-12(10)20-13/h2-5,9,11,16H,6-8H2,1H3,(H,17,18)
InChIKeyKGGCIWBZURHUFS-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.40
Rot. Bonds4

About 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid

2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid (PubChem CID 103261797) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
PubChem CID103261797
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
SMILESCC1OCCC1NCc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C15H17NO4/c1-9-11(6-7-19-9)16-8-13-14(15(17)18)10-4-2-3-5-12(10)20-13/h2-5,9,11,16H,6-8H2,1H3,(H,17,18)
InChIKeyKGGCIWBZURHUFS-UHFFFAOYSA-N
XLogP2.40
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-methylcyclohexyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103234011
2-[[(3-methylcyclopentyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103266888
2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1-benzofuran-3-carboxylic acid
CID 107746132
2-[[(1-methylpiperidin-4-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103237803
2-[[(2,2-dimethylcyclopropyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103244121
2-[(cyclopropylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103231163
2-[(thian-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103267357
(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79759524
2-[(thian-3-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103268047
2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103261059
2-[[(1-methylcyclohexyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103244865
2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103264532

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid (CID 103261797) is 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid is CC1OCCC1NCc1oc2ccccc2c1C(=O)O.
What is the InChIKey of 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid?
The InChIKey is KGGCIWBZURHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-11(6-7-19-9)16-8-13-14(15(17)18)10-4-2-3-5-12(10)20-13/h2-5,9,11,16H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid?
2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methyloxolan-3-yl)amino]methyl]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 103261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).